[5-ethoxycarbonyl-3-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazol-4-yl]methyl-diethyl-azanium

Systemtic Name: [5-ethoxycarbonyl-3-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazol-4-yl]methyl-diethyl-azanium Openeye Name: [5-ethoxycarbonyl-3-(4-phenyl-1,2,5-oxadiazol-3-yl)triazol-4-yl]methyl-diethyl-ammonium CAS Name: [5-ethoxycarbonyl-3-(4-phenyl-1,2,5-oxadiazol-3-yl)-4-triazolyl]methyl-diethylammonium IUPAC Name: [5-ethoxycarbonyl-3-(4-phenyl-1,2,5-oxadiazol-3-yl)triazol-4-yl]methyl-diethylazanium Traditional Name: [5-carbethoxy-3-(4-phenylfurazan-3-yl)triazol-4-yl]methyl-diethyl-ammonium Formula: C18H23N6O3+ MolecularWeight: 371.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C18H22N6O3/c1-4-23(5-2)12-14-16(18(25)26-6-3)19-22-24(14)17-15(20-27-21-17)13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/p+1